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Chemical ID: 6135750
Chemical ID:
6135750
Name [?]:
3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
InChi [?]:
InChI=1/C18H16FN3O2S/c19-13-6-8-14(9-7-13)21-18-22(11-12-4-2-1-3-5-12)16(23)10-15(25-18)17(20)24/h1-9,15H,10-11H2,(H2,20,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,20,17,21,11,7,4,19,16,12,9,23,14,22,25,15,8,10,24,13/E:(2,3)(4,5)(6,7)(8,9)/rA:25cCCCCCCCNCOCCSCNCCCCCCFCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s8s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s12;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16FN3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.6776 |
Area: | 522.747 |
Solvation: | -4.39107 |
Coulombic: | -50.8229 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 357.403 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.65 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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